Structure of PDB 4r42 Chain B Binding Site BS01

Receptor Information
>4r42 Chain B (length=219) Species: 103690 (Nostoc sp. PCC 7120 = FACHB-418) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVFHKKEPIHVVNIGEANPRFAQLLLEQFGGATGELSAALQYWVQSFHVE
NAGIKDMLQDIAIEEFSHLEMVGKLIEAHTKNVDQTEAYKSTLFAVRGMG
PHFLDSQGNAWTASYLNEGGDVVRDLRANIAAEAGARQTYEELIKLSPDE
GTKQTLVHLLTREISHTQMFMKALDSLGKLTDPFFGNVQPDETVALYYNL
SDERGPWNSEPAFKYVANP
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4r42 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4r42 KatB, a cyanobacterial Mn-catalase with unique active site configuration: Implications for enzyme function.
Resolution1.902 Å
Binding residue
(original residue number in PDB)		E35 E65 H68 E163
Binding residue
(residue number reindexed from 1)		E35 E65 H68 E163
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E35 E65 H68 E133 E163 H166
Catalytic site (residue number reindexed from 1) E35 E65 H68 E133 E163 H166
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4r42, PDBe:4r42, PDBj:4r42
PDBsum4r42
PubMed26826576
UniProtQ8YSJ5

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